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102208-94-6 | Ethanone, 1-phenyl-2-[(2R,6S)-tetrahydro-6-methyl-2H-pyran-2-yl]-
CAS No: 102208-94-6 Catalog No: AG0006XA MDL No:
Product Description
Catalog Number:
AG0006XA
Chemical Name:
Ethanone, 1-phenyl-2-[(2R,6S)-tetrahydro-6-methyl-2H-pyran-2-yl]-
CAS Number:
102208-94-6
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
2-(6-methyloxan-2-yl)-1-phenylethanone
InChI:
InChI=1S/C14H18O2/c1-11-6-5-9-13(16-11)10-14(15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChI Key:
ZMYAFLUUHLXBDU-UHFFFAOYSA-N
SMILES:
C[C@H]1CCC[C@@H](O1)CC(=O)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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